Project Description

MolML

A library to interface molecules and machine learning. The goal of this
library is to be a simple way to convert molecules into a vector
representation for later use with libraries such as
scikit-learn. This is done using a
similar API scheme.

NOTE: Due to an issue with multiprocess (a pathos dependency), the
minimum version of Python that will work is 2.7.4. For full details see
this link.
Without this, the parallel computation of features will fail.

Install

Once numpy and scipy are installed, the package can be installed
with pip.